Tiplaxtinin - ≥98%(HPLC) , CAS No.393105-53-8

CAS: 393105-53-8 Cat. No.: T287897 Fórmula: C₂₄H₁₆F₃NO₄ Peso molecular: 439.38 Número EC: 110-173-5 PubChem CID: 6450819

GRADE & PURITY ≥98%(HPLC)

Synonyms

PAI-039 | WAY-168039 | 2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid | FT-0700303 | HY-15253 | Tiplasinin [USAN:INN] | A14190 | Tiplasinin (USAN) | 2-[1-benzyl-5-[4-(triluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid | CHEBI:1777

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

PAI-039 | WAY-168039 | 2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid | FT-0700303 | HY-15253 | Tiplasinin [USAN:INN] | A14190 | Tiplasinin (USAN) | 2-[1-benzyl-5-[4-(triluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid | CHEBI:1777

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Plasminogen activator inhibitor-1 (PAI-1) inhibitor (IC50= 2.7μM). Induces vascular smooth muscle cell apoptosisin vitroand reduces carotid artery neointimal formation in a rat vascular injury model. Promotes thrombolysis in rat and dog models of acute ar

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(HPLC)

Nombres e identificadores

Pubchem Sid

504764206

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764206

Sonrisas canónicas

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC=C(C=C4)OC(F)(F)F)C(=O)C(=O)O

IUPAC Name

2-[1-benzyl-5-[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid

InChIKey

ODXQFEWQSHNQNI-UHFFFAOYSA-N

INCHI

1S/C24H16F3NO4/c25-24(26,27)32-18-9-6-16(7-10-18)17-8-11-21-19(12-17)20(22(29)23(30)31)14-28(21)13-15-4-2-1-3-5-15/h1-12,14H,13H2,(H,30,31)

Isómeros SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC=C(C=C4)OC(F)(F)F)C(=O)C(=O)O

PubChem CID

6450819

Peso molecular

439.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indole-3-acetic acid derivatives
• Alternative Parents: N-alkylindoles Indoles Phenoxy compounds Phenol ethers Aryl ketones Substituted pyrroles Alpha-keto acids and derivatives Vinylogous amides Alpha-hydroxy ketones Heteroaromatic compounds Trihalomethanes Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Alkyl fluorides Organic oxides Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole-3-acetic acid derivative - N-alkylindole - Indole - Phenol ether - Phenoxy compound - Aryl ketone - Alpha-keto acid - Substituted pyrrole - Benzenoid - Keto acid - Monocyclic benzene moiety - Alpha-hydroxy ketone - Vinylogous amide - Heteroaromatic compound - Pyrrole - Ketone - Trihalomethane - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Halomethane - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

SERPINE1 Tchem Plasminogen activator inhibitor-1 (498 Activities)

Discover Target: SERPINE1

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YES1 Tclin Tyrosine-protein kinase YES (2781 Activities)

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Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Escherichia coli (133304 Activities)

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Enterococcus faecium (13803 Activities)

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Bacillus subtilis (32866 Activities)

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Enterococcus faecalis (29875 Activities)

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Canis familiaris (36305 Activities)

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Rattus norvegicus (775804 Activities)

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ftsZ Cell division protein FtsZ (54 Activities)

Discover Target: ftsZ

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 43.94, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 43.94, Max Conc. mM: 100
• Peso molecular: 439.400 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 439.103 Da
• Monoisotopic Mass: 439.103 Da
• Topological Polar Surface Area: 68.500 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 671.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 393105-53-8, the molecular formula is C24H16F3NO4, and the molecular weight is 439.38 g/mol. InChIKey ODXQFEWQSHNQNI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.